| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5204382
Max Phase: Preclinical
Molecular Formula: C15H11BrN2O
Molecular Weight: 315.17
Associated Items:
Representations
Canonical SMILES: Oc1cccc(Nc2ccnc3ccc(Br)cc23)c1
Standard InChI: InChI=1S/C15H11BrN2O/c16-10-4-5-14-13(8-10)15(6-7-17-14)18-11-2-1-3-12(19)9-11/h1-9,19H,(H,17,18)
Standard InChI Key: PINZOUGJBLCCNA-UHFFFAOYSA-N
Associated Targets(non-human)
Dengue virus 413 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: No |
Drug Indications
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 315.17 | Molecular Weight (Monoisotopic): 314.0055 | AlogP: 4.45 | #Rotatable Bonds: 2 |
| Polar Surface Area: 45.15 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.70 | CX Basic pKa: 6.39 | CX LogP: 4.04 | CX LogD: 4.00 |
| Aromatic Rings: 3 | Heavy Atoms: 19 | QED Weighted: 0.73 | Np Likeness Score: -0.84 |
References
| 1. De S, Aamna B, Sahu R, Parida S, Behera SK, Dan AK.. (2022) Seeking heterocyclic scaffolds as antivirals against dengue virus., 240 [PMID:35816877] [10.1016/j.ejmech.2022.114576] |
Source
Source(1):